化学式

CAS号

IUPAC Name

[(3R)-6-[(2S,5S)-5-[[(2S,5S)-4-[(2S,5S)-5-[[(3aS,6S)-7-[(2S,6S)-5-苯甲酰基氧基-6-甲基-3,4-双(苄氧基)四氢吡喃-2-基]氧基-2-氧代-4-(苄氧基甲基)-4,6,7,7a-四氢-3aH-[1,3]二氧代[4,5-c]吡喃-6-基]甲基]-3-(benzenesulfonamido)-4-[(5R)-5-苯甲酰基氧基-6-甲基-3,4-双(苄氧基)四氢吡喃-2-基]氧基-6-(苄氧基甲基)四氢吡喃-2-基]氧基-3,5-二羟基-6- [(3R)-6-[(2S,5S)-5-[[(2S,5S)-4-[(2S,5S)-5-[[(3aS,6S)-7-[(2S,6S)-5-benzoyloxy-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-oxo-4-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl]-3-(benzenesulfonamido)-4-[(5R)-5-benzoyloxy-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-3-(benzenesulfonamido)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-2-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] benzoate;actinium

InChI

InChI=1S/C181H192N2O45S2.4Ac/c1-117-155(218-172(188)133-84-48-17-49-85-133)165(204-105-127-72-36-11-37-73-127)169(207-108-130-78-42-14-43-79-130)178(210-117)221-158-138(143(111-196-98-120-58-22-4-23-59-120)215-176(149(158)182-229(192,193)136-90-54-20-55-91-136)226-164-153(186)146(114-199-101-123-64-28-7-29-65-123)217-177(154(164)187)223-160-140(203-104-126-70-34-10-35-71-126)94-95-202-147(160)115-200-102-124-66-30-8-31-67-124)96-141-151(184)163(152(185)145(213-141)113-198-100-122-62-26-6-27-63-122)225-175-150(183-230(194,195)137-92-56-21-57-93-137)159(222-179-170(208-109-131-80-44-15-45-81-131)166(205-106-128-74-38-12-39-75-128)156(118(2)211-179)219-173(189)134-86-50-18-51-87-134)139(144(216-175)112-197-99-121-60-24-5-25-61-121)97-142-161(168-162(227-181(191)228-168)148(214-142)116-201-103-125-68-32-9-33-69-125)224-180-171(209-110-132-82-46-16-47-83-132)167(206-107-129-76-40-13-41-77-129)157(119(3)212-180)220-174(190)135-88-52-19-53-89-135;;;;/h4-95,117-119,138-171,175-180,182-187H,96-116H2,1-3H3;;;;/t117?,118?,119-,138+,139+,140?,141-,142-,143?,144?,145?,146?,147?,148?,149?,150?,151?,152-,153-,154?,155+,156+,157?,158?,159?,160-,161?,162-,163?,164?,165?,166?,167?,168?,169?,170?,171?,175-,176-,177-,178?,179?,180-;;;;/m0..../s1

InChI Key

YHOUWRDEZNFNKU-OLUDZSIYSA-N

Canonical SMILES

CC1C(C(C(C(O1)OC2C(C(OC(C2NS(=O)(=O)C3=CC=CC=C3)OC4C(C(OC(C4O)OC5C(C=COC5COCC6=CC=CC=C6)OCC7=CC=CC=C7)COCC8=CC=CC=C8)O)COCC9=CC=CC=C9)CC1C(C(C(C(O1)COCC1=CC=CC=C1)O)OC1C(C(C(C(O1)COCC1=CC=CC=C1)CC1C(C2C(C(O1)COCC1=CC=CC=C1)OC(=O)O2)OC1C(C(C(C(O1)C)OC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC1C(C(C(C(O1)C)OC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1)O)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC(=O)C1=CC=CC=C1.[Ac].[Ac].[Ac].[Ac]

别名